General Information of the Compound
| Compound ID |
CP0353681
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| Compound Name |
4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C24H29FN6O2
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| Molecular Weight |
452.534
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| Canonical SMILES |
CN(C)C(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(C)(CC1)C#N
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| InChI |
InChI=1S/C24H29FN6O2/c1-24(16-26)6-8-29(9-7-24)21-18-14-17(25)4-5-20(18)27-15-19(21)22(32)30-10-12-31(13-11-30)23(33)28(2)3/h4-5,14-15H,6-13H2,1-3H3
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| InChIKey |
ZLKYLYYFMYEWEU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound